Sotrovimab / 8vyg

A4DAB245_8vyg_A_B | Source PDB: 8vyg | Chains: A, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6411
Max Score
1.7632
Min Score
-3.4838
Total Score
-148.74
Score CDR
-0.2282
Score non-CDR
-0.7664

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEI input.pdb
Selected Chain(s) A (Heavy), B (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.4838
Maximum Score 1.7632
Average Score -0.6411
Total Score -148.738

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 Q A -1.5725 Soluble
2 V A -1.3451 Soluble
3 Q A -1.8760 Soluble
4 L A 0.0000 Buried
5 V A -0.4538 Soluble
6 Q A 0.0000 Buried
7 S A -0.7870 Soluble
8 G A -0.6681 Soluble
9 A A -0.0249 Soluble
11 E A -0.4894 Soluble
12 V A 0.7098 Aggregation-prone
13 K A -0.9879 Soluble
14 K A -2.2530 Soluble
15 P A -2.3498 Soluble
16 G A -2.1745 Soluble
17 A A -1.6150 Soluble
18 S A -1.8781 Soluble
19 V A 0.0000 Buried
20 K A -1.9567 Soluble
21 V A 0.0000 Buried
22 S A -0.6281 Soluble
23 C A 0.0000 Buried
24 K A -1.6663 Soluble
25 A A 0.0000 Buried
26 S A -1.1829 Soluble
27 G A -1.1469 Soluble
28 Y A -0.5761 Soluble
29 P A -0.2915 Soluble
30 F A 0.0000 Buried
35 T A 0.2077 Aggregation-prone
36 S A 0.4152 Aggregation-prone
37 Y A 0.5749 Aggregation-prone
38 G A 0.0000 Buried
39 I A 0.0000 Buried
40 S A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A -0.3679 Soluble
44 Q A -0.6290 Soluble
45 A A -0.9091 Soluble
46 P A -0.8735 Soluble
47 G A -1.2218 Soluble
48 Q A -1.7730 Soluble
49 G A -1.1011 Soluble
50 L A 0.0000 Buried
51 E A -0.7030 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 W A 0.0000 Buried
56 I A 0.0000 Buried
57 S A 0.0000 Buried
58 T A 0.0000 Buried
59 Y A 0.4627 Aggregation-prone
62 N A -0.9460 Soluble
63 G A -1.3966 Soluble
64 N A -1.5037 Soluble
65 T A -1.1048 Soluble
66 N A -0.9801 Soluble
67 Y A -0.9647 Soluble
68 A A -1.4807 Soluble
69 Q A -2.5161 Soluble
70 K A -2.6870 Soluble
71 F A 0.0000 Buried
72 Q A -2.4052 Soluble
74 G A -1.7818 Soluble
75 R A -1.6416 Soluble
76 V A 0.0000 Buried
77 T A -0.6029 Soluble
78 M A 0.0000 Buried
79 T A -0.4081 Soluble
80 T A -0.5303 Soluble
81 D A -1.2001 Soluble
82 T A -0.5392 Soluble
83 S A -0.5637 Soluble
84 T A -0.7876 Soluble
85 T A -0.9062 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.4049 Soluble
89 M A 0.0000 Buried
90 E A -1.0804 Soluble
91 L A 0.0000 Buried
92 R A -2.2018 Soluble
93 R A -2.9775 Soluble
94 L A 0.0000 Buried
95 R A -3.4650 Soluble
96 S A -2.2779 Soluble
97 D A -2.5159 Soluble
98 D A 0.0000 Buried
99 T A -0.6721 Soluble
100 A A 0.0000 Buried
101 V A 0.4017 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.3544 Soluble
107 D A 0.0000 Buried
108 Y A 1.0615 Aggregation-prone
109 T A 0.0000 Buried
110 R A -0.1504 Soluble
111 G A 0.0000 Buried
111A A A 0.0000 Buried
111B W A 1.5289 Aggregation-prone
111C F A 1.6687 Aggregation-prone
112D G A -0.0487 Soluble
112C E A -1.0971 Soluble
112B S A -0.6592 Soluble
112A L A 0.3766 Aggregation-prone
112 I A 1.7632 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.9822 Soluble
117 N A -1.2563 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.4373 Soluble
121 G A -0.5570 Soluble
122 T A 0.0000 Buried
123 L A 0.6139 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.2880 Soluble
126 V A 0.0000 Buried
127 S A -0.9409 Soluble
1 E B -1.8303 Soluble
2 I B 0.0000 Buried
3 V B 0.7358 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.6010 Soluble
6 Q B -1.0701 Soluble
7 S B -1.0345 Soluble
8 P B -0.7174 Soluble
9 G B -0.9405 Soluble
10 T B -0.8763 Soluble
11 L B 0.0000 Buried
12 S B 0.0237 Aggregation-prone
13 L B -0.1640 Soluble
14 S B -0.6655 Soluble
15 P B -1.5531 Soluble
16 G B -2.3819 Soluble
17 E B -3.0302 Soluble
18 R B -3.3636 Soluble
19 A B 0.0000 Buried
20 T B -0.5412 Soluble
21 L B 0.0000 Buried
22 S B -0.9956 Soluble
23 C B 0.0000 Buried
24 R B -2.4346 Soluble
25 A B -1.2838 Soluble
26 S B -1.0349 Soluble
27 Q B -1.6868 Soluble
28 T B -1.4395 Soluble
29 V B 0.0000 Buried
30 S B -0.7532 Soluble
36 S B -0.3056 Soluble
37 T B 0.1581 Aggregation-prone
38 S B 0.0000 Buried
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -1.1830 Soluble
45 K B -1.7901 Soluble
46 P B -1.2135 Soluble
47 G B -1.5528 Soluble
48 Q B -2.2009 Soluble
49 A B -1.5629 Soluble
50 P B 0.0000 Buried
51 R B -1.5712 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.4467 Aggregation-prone
56 G B 0.3229 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.4879 Soluble
66 S B -0.2810 Soluble
67 R B -0.9713 Soluble
68 A B 0.0000 Buried
69 T B -0.4524 Soluble
70 G B -0.8103 Soluble
71 I B 0.0000 Buried
72 P B -1.2703 Soluble
74 D B -2.1569 Soluble
75 R B -1.7777 Soluble
76 F B 0.0000 Buried
77 S B -0.8547 Soluble
78 G B -0.3992 Soluble
79 S B -0.6689 Soluble
80 G B -1.0742 Soluble
83 S B -0.8826 Soluble
84 G B -1.2231 Soluble
85 T B -1.8253 Soluble
86 D B -2.3465 Soluble
87 F B 0.0000 Buried
88 T B -0.8083 Soluble
89 L B 0.0000 Buried
90 T B -0.7573 Soluble
91 I B 0.0000 Buried
92 S B -2.3345 Soluble
93 R B -3.4838 Soluble
94 L B 0.0000 Buried
95 E B -2.6104 Soluble
96 P B -1.6563 Soluble
97 E B -2.2835 Soluble
98 D B 0.0000 Buried
99 F B -0.7936 Soluble
100 A B 0.0000 Buried
101 V B -0.4959 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 H B 0.0000 Buried
108 D B -1.8077 Soluble
114 T B -1.4954 Soluble
115 S B -1.1261 Soluble
116 L B 0.0000 Buried
117 T B -0.2489 Soluble
118 F B 0.2462 Aggregation-prone
119 G B 0.0000 Buried
120 G B -0.6536 Soluble
121 G B -0.7662 Soluble
122 T B 0.0000 Buried
123 K B -1.0648 Soluble
124 V B 0.0000 Buried
125 E B -0.3832 Soluble
126 I B 1.3890 Aggregation-prone

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
Load structure at specific pH condition
A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.558 5.2332 CSV PDB
4.5 -0.5959 5.147 CSV PDB
5.0 -0.6413 5.034 CSV PDB
5.5 -0.6862 4.9292 CSV PDB
6.0 -0.7228 4.873 CSV PDB
6.5 -0.7455 4.8318 CSV PDB
7.0 -0.7535 4.8092 CSV PDB
7.5 -0.7507 4.7999 CSV PDB
8.0 -0.7414 4.7966 CSV PDB
8.5 -0.7271 4.7954 CSV PDB
9.0 -0.7074 4.7947 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH